⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2379257 | 1.00 | — | — | |
| Dimethylamine SCHEMBL3013534 | 0.94 | CHRM2 (0.47) | — | |
| SCHEMBL10587336 | 0.87 | CHRM2 (0.45) | — | |
| Hydrochloric Acid SCHEMBL3337122 | 0.83 | CHRM2 (0.47) | — | |
| SCHEMBL4330615 | 0.83 | CHRM2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL1948450 | 0.80 | CHRM2 (0.44) | — | |
| SCHEMBL11463019 | 0.80 | — | — | |
| SCHEMBL11479479 | 0.80 | — | — | |
| SCHEMBL13232234 | 0.80 | — | — | |
| SCHEMBL11288962 | 0.80 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160214983-A1 | 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-07-28 | — | — | US | disclosed |